| CAS Number | 327106-84-3 |
| Catalog Number | AG019M33 |
| Chemical Name | 3-[(4-chlorophenyl)methylidene]-2-(morpholin-4-yl)cyclopent-1-ene-1-carbaldehyde |
| IUPAC Name | (3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde |
| InChI | InChI=1S/C17H18ClNO2/c18-16-5-1-13(2-6-16)11-14-3-4-15(12-20)17(14)19-7-9-21-10-8-19/h1-2,5-6,11-12H,3-4,7-10H2/b14-11+ |
| InChI Key | OQZDLJMXSLAJPF-SDNWHVSQSA-N |
| MDL Number | MFCD02708604 |
| Molecular Formula | C17H18ClNO2 |
| Molecular Weight | 303.7833 |
| SMILES | ClC1=CC=C(C=C2C(N3CCOCC3)=C(C=O)CC2)C=C1 |
| Synonyms | EN300-00968,
(3E)-3-[(4-chlorophenyl)methylidene]-2-(morpholin-4-yl)cyclopent-1-ene-1-carbaldehyde,
327106-84-3,
MLS001018667,
CHEMBL1385530,
HMS2679L08,
ZINC3195495,
AKOS000121647,
NE39469,
SMR000363113,
SR-01000029361,
SR-01000029361-1,
AC1Q3IJI,
AC1M56KZ,
ZINC03195495,
CID2322916,
3-(4-Chloro-benzylidene)-2-morpholin-4-yl-cyclopent-1-enecarbaldehyde,
(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde,
3-[(4-CHLOROPHENYL)METHYLIDENE]-2-(MORPHOLIN-4-YL)CYCLOPENT-1-ENE-1-CARBALDEHYDE,
|
| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 303.102606g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.8g/mol |
| Monoisotopic Mass | 303.102606g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number